Information card for entry 7008878

Structure parameters

• Formula: C64.8 H62.2 Cl3 Fe4 N12.4 O25
• Calculated formula: C64.8 H44 Cl3 Fe4 N12.4 O25
• Title of publication: Tetranuclear iron(III) carboxylate clusters with 1,10-phenanthroline and 2,2'-bipyridine: a new [Fe4(μ4-OHO)(μ-OH)2]7+ core
• Authors of publication: Boudalis, Athanassios K.; Lalioti, Nikolia; Spyroulias, Georgios A.; Raptopoulou, Catherine P.; Terzis, Aris; Tangoulis, Vassilis; Perlepes, Spyros P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 955
• a: 18.162 ± 0.009 Å
• b: 39.016 ± 0.019 Å
• c: 13.054 ± 0.007 Å
• α: 90°
• β: 104.29 ± 0.02°
• γ: 90°
• Cell volume: 8964 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections: 0.3128
• Weighted residual factors for significantly intense reflections: 0.2676
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No